(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide

C16H17N3O3 — CID 89001938

IUPAC(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(CCCc2cccnc2)c1=O)NO
InChIInChI=1S/C16H17N3O3/c20-15(18-22)8-7-14-6-3-11-19(16(14)21)10-2-5-13-4-1-9-17-12-13/h1,3-4,6-9,11-12,22H,2,5,10H2,(H,18,20)/b8-7+
InChIKeyRBGGKILQRAZHGC-BQYQJAHWSA-N
MW299.33 g/mol
LogP1.39
Rot. Bonds6

About (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide (PubChem CID 89001938) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide
PubChem CID89001938
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(CCCc2cccnc2)c1=O)NO
InChIInChI=1S/C16H17N3O3/c20-15(18-22)8-7-14-6-3-11-19(16(14)21)10-2-5-13-4-1-9-17-12-13/h1,3-4,6-9,11-12,22H,2,5,10H2,(H,18,20)/b8-7+
InChIKeyRBGGKILQRAZHGC-BQYQJAHWSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide
CID 89001868
(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 89001819
(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 159803289
(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 89001871
(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 89001826
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide;hydrochloride
CID 166771212
(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 890933
(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]prop-2-enamide
CID 11750273
(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 37171992
1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
CID 23072658
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide (CID 89001938) is (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccn(CCCc2cccnc2)c1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is RBGGKILQRAZHGC-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(18-22)8-7-14-6-3-11-19(16(14)21)10-2-5-13-4-1-9-17-12-13/h1,3-4,6-9,11-12,22H,2,5,10H2,(H,18,20)/b8-7+.
What are the key properties of (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 299.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 89001938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).